5-[(4-iodophenyl)carbamoylamino]-5-oxopentanoic acid

C12H13IN2O4 — CID 28976735

IUPAC5-[(4-iodophenyl)carbamoylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C12H13IN2O4/c13-8-4-6-9(7-5-8)14-12(19)15-10(16)2-1-3-11(17)18/h4-7H,1-3H2,(H,17,18)(H2,14,15,16,19)
InChIKeyONVJLRVNTATOOY-UHFFFAOYSA-N
MW376.15 g/mol
LogP2.19
Rot. Bonds5

About 5-[(4-iodophenyl)carbamoylamino]-5-oxopentanoic acid

5-[(4-iodophenyl)carbamoylamino]-5-oxopentanoic acid (PubChem CID 28976735) has the molecular formula C12H13IN2O4 and a molecular weight of 376.15 g/mol. Its IUPAC name is 5-[(4-iodophenyl)carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(4-iodophenyl)carbamoylamino]-5-oxopentanoic acid
PubChem CID28976735
Molecular FormulaC12H13IN2O4
Molecular Weight376.15 g/mol
Exact Mass375.99
IUPAC Name5-[(4-iodophenyl)carbamoylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C12H13IN2O4/c13-8-4-6-9(7-5-8)14-12(19)15-10(16)2-1-3-11(17)18/h4-7H,1-3H2,(H,17,18)(H2,14,15,16,19)
InChIKeyONVJLRVNTATOOY-UHFFFAOYSA-N
XLogP2.19
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.15
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-[(4-fluorophenyl)carbamoylamino]-5-oxopentanoic acid
CID 28931821
4-[(4-iodophenyl)carbamoylamino]butanoic acid
CID 61185530
(E)-4-[(4-iodophenyl)carbamoylamino]-4-oxobut-2-enoic acid
CID 28976740
N,N'-bis(4-iodophenyl)nonanediamide
CID 4507998
5-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid
CID 107622131
6-[(4-bromo-3-fluorophenyl)carbamoylamino]-6-oxohexanoic acid
CID 65435210
N,N'-bis(4-iodophenyl)butanediamide
CID 4250378
2-[(4-iodophenyl)carbamoylamino]acetic acid
CID 43445581
6-[(3-chlorophenyl)carbamoylamino]-6-oxohexanoic acid
CID 43447317
5-[(2,3-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid
CID 28931983
5-[4-(carboxymethyl)anilino]-5-oxopentanoic acid
CID 756962
5-oxo-5-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]pentanoic acid
CID 62903409

Frequently Asked Questions

What is the IUPAC name of 5-[(4-iodophenyl)carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[(4-iodophenyl)carbamoylamino]-5-oxopentanoic acid (CID 28976735) is 5-[(4-iodophenyl)carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(4-iodophenyl)carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(4-iodophenyl)carbamoylamino]-5-oxopentanoic acid is O=C(O)CCCC(=O)NC(=O)Nc1ccc(I)cc1.
What is the InChIKey of 5-[(4-iodophenyl)carbamoylamino]-5-oxopentanoic acid?
The InChIKey is ONVJLRVNTATOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN2O4/c13-8-4-6-9(7-5-8)14-12(19)15-10(16)2-1-3-11(17)18/h4-7H,1-3H2,(H,17,18)(H2,14,15,16,19).
What are the key properties of 5-[(4-iodophenyl)carbamoylamino]-5-oxopentanoic acid?
5-[(4-iodophenyl)carbamoylamino]-5-oxopentanoic acid has a molecular weight of 376.15 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-iodophenyl)carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 28976735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).